1-(4-chlorophenyl)-3-[N-(4,6-dimethylpyrimidin-2-yl)-N'-phenethyl-carbamimidoyl]urea

Systemtic Name: 1-(4-chlorophenyl)-3-[N-(4,6-dimethylpyrimidin-2-yl)-N'-phenethyl-carbamimidoyl]urea Openeye Name: 1-(4-chlorophenyl)-3-[N-(4,6-dimethylpyrimidin-2-yl)-N'-phenethyl-carbamimidoyl]urea CAS Name: 1-(4-chlorophenyl)-3-[[(4,6-dimethyl-2-pyrimidinyl)amino]-phenethyliminomethyl]urea IUPAC Name: 1-(4-chlorophenyl)-3-[N-(4,6-dimethylpyrimidin-2-yl)-N'-phenethylcarbamimidoyl]urea Traditional Name: 1-(4-chlorophenyl)-3-[N-(4,6-dimethylpyrimidin-2-yl)-N'-phenethyl-amidino]urea Formula: C22H23ClN6O MolecularWeight: 422.91062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=NCCC2=CC=CC=C2)NC(=O)NC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=NCCC2=CC=CC=C2)NC(=O)NC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C22H23ClN6O/c1-15-14-16(2)26-21(25-15)28-20(24-13-12-17-6-4-3-5-7-17)29-22(30)27-19-10-8-18(23)9-11-19/h3-11,14H,12-13H2,1-2H3,(H3,24,25,26,27,28,29,30)